SCHEMBL941174

SCHEMBL941174

Nc1ncnn2cc(C(=O)NCC(F)(F)F)c(-c3ccc(Nc4nc5ccc(N6CCCC6)nc5[nH]4)cc3)c12

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.33
TBK1 Q9UHD2 5/20 0.33
KDR P35968 3/20 0.32
AURKA O14965 3/20 0.31
AURKB Q96GD4 3/20 0.31
RET P07949 3/20 0.31
KLKB1 P03952 2/20 0.31
MAP4K4 O95819 1/20 0.31
FGFR3 P22607 1/20 0.30
PTGES O14684 1/20 0.30
PIK3CD O00329 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL939672 0.94 MAPK14 (0.36) TBK1KDRPIK3CD
SCHEMBL939533 0.91 KLKB1 (0.34) FGFR1TBK1AURKAAURKBRET
SCHEMBL938845 0.91 FGFR1 (0.42) FGFR1KDRAURKAAURKBPIK3CD
SCHEMBL938624 0.90 FGFR1 (0.33) FGFR1TBK1RETKLKB1PTGES
SCHEMBL939743 0.88 FGFR1 (0.38) FGFR1KDRAURKAAURKBRET
SCHEMBL941171 0.88 FGFR1 (0.35) FGFR1KDRAURKAAURKBRET
SCHEMBL939395 0.88 FGFR1 (0.35) FGFR1KDRAURKAAURKBRET
SCHEMBL941383 0.87 KDR (0.32) FGFR1KDRAURKAAURKBRET
SCHEMBL939604 0.86 FGFR1 (0.40) FGFR1TBK1KDRRET
SCHEMBL938648 0.86 FGFR1 (0.35) FGFR1KDRAURKAAURKBRET

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957078-B1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC (US) 2013-08-28 EP claimed
US-8338594-B2 Pyrrolotriazine derivatives useful for treating cancer through inhibition of aurora kinase BAYER HEALTHCARE LLC (US) 2012-12-25 US claimed
US-20110021518-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC. (US) 2011-01-27 US claimed
EP-1957078-B1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC (US) 2013-08-28 EP disclosed
US-8338594-B2 Pyrrolotriazine derivatives useful for treating cancer through inhibition of aurora kinase BAYER HEALTHCARE LLC (US) 2012-12-25 US disclosed
US-20110021518-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC. (US) 2011-01-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110021518-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE AURKC, AURKA, PLK1 FGFR1 776/4885TBK1 436/4885KDR 1946/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.